182 related articles for article (PubMed ID: 34099962)
1. Druggability of cavity pockets within SARS-CoV-2 spike glycoprotein and pharmacophore-based drug discovery.
Mohebbi A; Askari FS; Sammak AS; Ebrahimi M; Najafimemar Z
Future Virol; 2021 May; ():. PubMed ID: 34099962
[No Abstract] [Full Text] [Related]
2. Identification of new pharmacophore against SARS-CoV-2 spike protein by multi-fold computational and biochemical techniques.
Ullah A; Ullah S; Halim SA; Waqas M; Ali B; Ataya FS; El-Sabbagh NM; Batiha GE; Avula SK; Csuk R; Khan A; Al-Harrasi A
Sci Rep; 2024 Feb; 14(1):3590. PubMed ID: 38351259
[TBL] [Abstract][Full Text] [Related]
3. Digging for the discovery of SARS-CoV-2 nsp12 inhibitors: a pharmacophore-based and molecular dynamics simulation study.
Askari FS; Ebrahimi M; Parhiz J; Hassanpour M; Mohebbi A; Mirshafiey A
Future Virol; 2022 Jul; ():. PubMed ID: 35983350
[No Abstract] [Full Text] [Related]
4. Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulations.
Dhameliya TM; Nagar PR; Gajjar ND
Mol Divers; 2022 Oct; 26(5):2775-2792. PubMed ID: 35132518
[TBL] [Abstract][Full Text] [Related]
5. Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and molecular dynamic study.
Sen D; Debnath P; Debnath B; Bhaumik S; Debnath S
J Biomol Struct Dyn; 2022 Feb; 40(2):941-962. PubMed ID: 32948116
[TBL] [Abstract][Full Text] [Related]
6. A Comprehensive Mapping of the Druggable Cavities within the SARS-CoV-2 Therapeutically Relevant Proteins by Combining Pocket and Docking Searches as Implemented in Pockets 2.0.
Gervasoni S; Vistoli G; Talarico C; Manelfi C; Beccari AR; Studer G; Tauriello G; Waterhouse AM; Schwede T; Pedretti A
Int J Mol Sci; 2020 Jul; 21(14):. PubMed ID: 32708196
[TBL] [Abstract][Full Text] [Related]
7. Dual inhibition of COVID-19 spike glycoprotein and main protease 3CLpro by Withanone from
Patil VS; Hupparage VB; Malgi AP; Deshpande SH; Patil SA; Mallapur SP
Chin Herb Med; 2021 Jul; 13(3):359-369. PubMed ID: 34188665
[TBL] [Abstract][Full Text] [Related]
8. Spike protein recognizer receptor ACE2 targeted identification of potential natural antiviral drug candidates against SARS-CoV-2.
Pokhrel S; Bouback TA; Samad A; Nur SM; Alam R; Abdullah-Al-Mamun M; Nain Z; Imon RR; Talukder MEK; Tareq MMI; Hossen MS; Karpiński TM; Ahammad F; Qadri I; Rahman MS
Int J Biol Macromol; 2021 Nov; 191():1114-1125. PubMed ID: 34592225
[TBL] [Abstract][Full Text] [Related]
9. Pharmacophore screening to identify natural origin compounds to target RNA-dependent RNA polymerase (RdRp) of SARS-CoV2.
Mishra A; Rathore AS
Mol Divers; 2022 Oct; 26(5):2613-2629. PubMed ID: 35000060
[TBL] [Abstract][Full Text] [Related]
10. Identification of a druggable site on GRP78 at the GRP78-SARS-CoV-2 interface and virtual screening of compounds to disrupt that interface.
Lazou M; Hutton JR; Chakravarty A; Joseph-McCarthy D
J Comput Aided Mol Des; 2024 Jan; 38(1):6. PubMed ID: 38263499
[TBL] [Abstract][Full Text] [Related]
11. Identification of Four New Chemical Series of Small Drug-Like Natural Products as Potential Neuropilin-1 Inhibitors by Structure-Based Virtual Screening: Pharmacophore-Based Molecular Docking and Dynamics Simulation.
Sabki A; Khelifi L; Kameli A; Baali S
Chem Biodivers; 2023 Mar; 20(3):e202200933. PubMed ID: 36799050
[TBL] [Abstract][Full Text] [Related]
12. Pharmacophore model-aided virtual screening combined with comparative molecular docking and molecular dynamics for identification of marine natural products as SARS-CoV-2 papain-like protease inhibitors.
Thangavel N; Albratty M
Arab J Chem; 2022 Dec; 15(12):104334. PubMed ID: 36246784
[TBL] [Abstract][Full Text] [Related]
13. Virtual screening and structure-based 3D pharmacophore approach to identify small-molecule inhibitors of SARS-CoV-2 M
Elseginy SA
J Biomol Struct Dyn; 2022; 40(24):13658-13674. PubMed ID: 34676801
[TBL] [Abstract][Full Text] [Related]
14. Pharmacophore-Based Virtual Screening, Quantum Mechanics Calculations, and Molecular Dynamics Simulation Approaches Identified Potential Natural Antiviral Drug Candidates against MERS-CoV S1-NTD.
Bouback TA; Pokhrel S; Albeshri A; Aljohani AM; Samad A; Alam R; Hossen MS; Al-Ghamdi K; Talukder MEK; Ahammad F; Qadri I; Simal-Gandara J
Molecules; 2021 Aug; 26(16):. PubMed ID: 34443556
[TBL] [Abstract][Full Text] [Related]
15. CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction.
Xu Y; Wang S; Hu Q; Gao S; Ma X; Zhang W; Shen Y; Chen F; Lai L; Pei J
Nucleic Acids Res; 2018 Jul; 46(W1):W374-W379. PubMed ID: 29750256
[TBL] [Abstract][Full Text] [Related]
16. Phytoconstituents from Moringa oleifera fruits target ACE2 and open spike glycoprotein to combat SARS-CoV-2: An integrative phytochemical and computational approach.
Siddiqui S; Ahmad R; Alaidarous M; Zia Q; Ahmad Mir S; Alshehri B; Srivastava A; Trivedi A
J Food Biochem; 2022 May; 46(5):e14062. PubMed ID: 35043973
[TBL] [Abstract][Full Text] [Related]
17. De novo design of novel spike glycoprotein inhibitors using e-pharmacophore modeling, molecular hybridization, ADMET, quantum mechanics and molecular dynamics studies for COVID-19.
A Alzain A; Ismail A; Fadlelmola M; A Mohamed M; Mahjoub M; A Makki A; Elsaman T
Pak J Pharm Sci; 2022 Jan; 35(1(Supplementary)):313-321. PubMed ID: 35228193
[TBL] [Abstract][Full Text] [Related]
18. Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches.
Rehman HM; Sajjad M; Ali MA; Gul R; Naveed M; Aslam MS; Shinwari K; Bhinder MA; Ghani MU; Saleem M; Rather MA; Ahmad I; Amin A
Int J Biol Macromol; 2023 May; 237():124169. PubMed ID: 36990409
[TBL] [Abstract][Full Text] [Related]
19. Unlocking COVID therapeutic targets: A structure-based rationale against SARS-CoV-2, SARS-CoV and MERS-CoV Spike.
Trigueiro-Louro J; Correia V; Figueiredo-Nunes I; Gíria M; Rebelo-de-Andrade H
Comput Struct Biotechnol J; 2020; 18():2117-2131. PubMed ID: 32913581
[TBL] [Abstract][Full Text] [Related]
20. Multidisciplinary Approaches Identify Compounds that Bind to Human ACE2 or SARS-CoV-2 Spike Protein as Candidates to Block SARS-CoV-2-ACE2 Receptor Interactions.
Day CJ; Bailly B; Guillon P; Dirr L; Jen FE; Spillings BL; Mak J; von Itzstein M; Haselhorst T; Jennings MP
mBio; 2021 Mar; 12(2):. PubMed ID: 33785634
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]